Geometry & MOs

Info

ID:	137045
PubChem CID:	52143277
Reduced:	SO2N5H17C18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	389.127009
ΔH_f, kcal/mol:	68.08
Dipole, Da:	6.5
IP(EA), eV:	-8.98(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[5-(1-ethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-2-(methylamino)pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CN=C(O2)CSC3=NN=C(O3)C4=CN(N=C4)C

DOS

IR

Vibrations